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235822

Sigma-Aldrich

3-Fluorobenzonitrile

98%

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About This Item

Linear Formula:
FC6H4CN
CAS Number:
403-54-3
Molecular Weight:
121.11
EC Number:
206-963-5
MDL number:
MFCD00001797
UNSPSC Code:
12352100
PubChem Substance ID:
24854117
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.5043 (lit.)

bp

182-183 °C/753 mmHg (lit.)

mp

−16 °C (lit.)

density

1.133 g/mL at 25 °C (lit.)

functional group

fluoro
nitrile

SMILES string

Fc1cccc(c1)C#N

InChI

1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChI key

JZTPKAROPNTQQV-UHFFFAOYSA-N

General description

Microwave spectrum of 3-fluorobenzonitrile has been studied. Amination of 3-fluorobenzonitrile with morpholine in DMSO at 100°C has been investigated.

Application

3-Fluorobenzonitrile has been used in the preparation of bis(3-cyanophenoxy)phenylenes.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

154.4 °F - closed cup

flash_point_c

68 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH9069
BCCF7315
BCCC8861
BCBX0249
BCBW4831

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Improved yields of meta-amination and symmetrical and unsymmetrical diamination of benzenes.
Brown GR, et al.
Tetrahedron Letters, 42(23), 3917-3919 (2001)
Xiaotong Cheng et al.
The Journal of clinical investigation, 130(5), 2237-2251 (2020-01-31)
Hypoxia-inducible factor (HIF) is strikingly upregulated in many types of cancer, and there is great interest in applying inhibitors of HIF as anticancer therapeutics. The most advanced of these are small molecules that target the HIF-2 isoform through binding the
Microwave spectral study of 3-fluorobenzonitrile.
Dutta A, et al.
Journal of Molecular Spectroscopy, 118(1), 232-236 (1986)
Synthesis of bis (ether nitrile) s and bis (ether acid) s from simplearomatic diols bymeta-fluoro displacement from3-fluorobenzonitrile.
Eastmond GC and Paprotny J.
Journal of Materials Chemistry, 7(8), 1321-1326 (1997)
Oriol Planas et al.
Science (New York, N.Y.), 367(6475), 313-317 (2020-01-18)
Bismuth catalysis has traditionally relied on the Lewis acidic properties of the element in a fixed oxidation state. In this paper, we report a series of bismuth complexes that can undergo oxidative addition, reductive elimination, and transmetallation in a manner

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